Fluorine in PDB 6ogs: X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-001

The structure of X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-001, PDB code: 6ogs was solved by H.Bulut, S.I.Hattori, H.Aoki-Ogata, H.Hayashi, M.Aoki, A.K.Ghosh, H.Mitsuya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.33 / 1.27
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.768, 62.768, 82.139, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 21

The binding sites of Fluorine atom in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-001 (pdb code 6ogs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-001, PDB code: 6ogs:

Fluorine binding site 1 out of 1 in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-001


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-001 within 5.0Å range: probe atom residue distance (Å) B Occ A:F103 b:18.5 occ:0.50 FBP A:JDY103 0.0 18.5 0.5 CBL A:JDY103 1.4 13.8 0.5 CG A:PRO81 2.1 27.4 1.0 CBK A:JDY103 2.3 14.1 0.5 CBM A:JDY103 2.4 13.8 0.5 CD A:PRO81 2.9 22.8 1.0 CB A:PRO81 3.4 21.9 1.0 CBJ A:JDY103 3.6 13.4 0.5 CBH A:JDY103 3.7 11.7 0.5 N A:PRO81 4.1 22.1 1.0 CBI A:JDY103 4.1 12.2 0.5 CA A:PRO81 4.3 21.3 1.0 OAM A:JDY103 4.5 13.6 0.5 N A:ALA82 4.7 18.4 1.0 OG1 A:THR80 4.7 17.3 1.0 O A:HOH204 4.7 12.9 0.5 C A:PRO81 4.7 21.9 1.0 CAW A:JDY103 4.9 10.9 0.5

H.Bulut, S.I.Hattori, H.Aoki-Ogata, H.Hayashi, M.Aoki, A.K.Ghosh, H.Mitsuya. Novel Hiv-1 Protease Inhibitors, Grl-142 and Its Analogs, Markedly Adapt to the Structural Plasticity of Hiv-1 Protease and Exerts Extreme Potency with High Genetic Barrier To Be Published.